SCHEMBL8768942

SCHEMBL8768942

COc1ccc(NC(=O)NC(c2ccc(OC(C)(C)C(=O)O)cc2)C(C)(C)C)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
LPAR1 Q92633 3/20 0.49
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9233473 0.88 KMT2A (0.60) KMT2AMEN1TAS1R3TAS1R1LPAR1
SCHEMBL8924220 0.87 TAS1R3 (0.54) KMT2AMEN1TAS1R3TAS1R1LPAR1
SCHEMBL8768174 0.83 ALDH1A1 (0.56) KMT2AMEN1TAS1R3TAS1R1LPAR1
SCHEMBL8767793 0.81 POLB (0.53) KMT2AMEN1MAPTHTTGAA
SCHEMBL9111522 0.81 ALDH1A1 (0.54) KMT2AMEN1TAS1R3TAS1R1LPAR1
SCHEMBL8926644 0.77 KMT2A (0.64) KMT2AMEN1LPAR1ALDH1A1MAPT
SCHEMBL9107793 0.75 TAS1R3 (0.47) KMT2AMEN1TAS1R3TAS1R1LPAR1
SCHEMBL14345534 0.73 MEN1 (0.58) KMT2AMEN1LPAR1ALDH1A1MAPT
SCHEMBL8768931 0.72 PPARA (0.52) ALDH1A1MAPTTSHRHTTGAA
SCHEMBL703369 0.70 TAS1R3 (1.00) KMT2AMEN1TAS1R3TAS1R1LPAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639178-B1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS WELLCOME FOUND (GB) 1997-09-03 EP disclosed